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Deep learning methods have recently made notable advances in the tasks of classification and representation learning. These tasks are important for brain imaging and neuroscience discovery, making the methods attractive for porting to a…

Neural and Evolutionary Computing · Computer Science 2014-02-20 Sergey M. Plis , Devon R. Hjelm , Ruslan Salakhutdinov , Vince D. Calhoun

Most uses of machine learning today involve training a model from scratch for a particular task, or sometimes starting with a model pretrained on a related task and then fine-tuning on a downstream task. Both approaches offer limited…

Machine Learning · Computer Science 2022-05-26 Andrea Gesmundo , Jeff Dean

Scaling model capacity has been vital in the success of deep learning. For a typical network, necessary compute resources and training time grow dramatically with model size. Conditional computation is a promising way to increase the number…

Machine Learning · Computer Science 2018-11-14 Louis Kirsch , Julius Kunze , David Barber

We present a multimodal deep learning (MDL) framework for predicting physical properties of a 10-dimensional acrylic polymer composite material by merging physical attributes and chemical data. Our MDL model comprises four modules,…

Soft Condensed Matter · Physics 2023-11-28 Shun Muroga , Yasuaki Miki , Kenji Hata

In this work we present a hybrid physics-based and data-driven learning approach to construct surrogate models for concurrent multiscale simulations of complex material behavior. We start from robust but inflexible physics-based…

Numerical Analysis · Mathematics 2023-02-01 I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

It has been observed \citep{zhang2016understanding} that deep neural networks can memorize: they achieve 100\% accuracy on training data. Recent theoretical results explained such behavior in highly overparametrized regimes, where the…

Machine Learning · Computer Science 2019-09-27 Rong Ge , Runzhe Wang , Haoyu Zhao

We present a new approach to 3D object representation where a neural network encodes the geometry of an object directly into the weights and biases of a second 'mapping' network. This mapping network can be used to reconstruct an object by…

Machine Learning · Computer Science 2020-04-07 Eric Mitchell , Selim Engin , Volkan Isler , Daniel D Lee

Deep Learning has been shown to learn efficient representations for structured data such as image, text or audio. In this chapter, we present neural network architectures that are able to learn efficient representations of molecules and…

Computational Physics · Physics 2018-12-13 Kristof T. Schütt , Alexandre Tkatchenko , Klaus-Robert Müller

Automation and high-throughput characterization and synthesis for material development are becoming increasingly common; these approaches require machine learning (ML) tools to assess material properties, ideally based on a single…

Materials Science · Physics 2025-12-17 Frank M. Abel , Paige Burke , Daniel Wines , Brian Donovan , Michelle E. Jamer , Kamal Choudhary

Magnetism governs key properties of materials used in energy, data storage, and spintronic technologies, yet its complex coupling to lattice and electronic degrees of freedom challenges conventional first-principles approaches. We introduce…

Machine learning has been widely applied to clearly defined problems of astronomy and astrophysics. However, deep learning and its conceptual differences to classical machine learning have been largely overlooked in these fields. The broad…

Instrumentation and Methods for Astrophysics · Physics 2024-10-15 Nima Sedaghat , Martino Romaniello , Jonathan E. Carrick , François-Xavier Pineau

Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast…

Driving in the dynamic, multi-agent, and complex urban environment is a difficult task requiring a complex decision policy. The learning of such a policy requires a state representation that can encode the entire environment. Mid-level…

Robotics · Computer Science 2020-03-03 Eshagh Kargar , Ville Kyrki

Inferring parameters of macro-kinetic growth models, typically represented by Ordinary Differential Equations (ODE), from the experimental data is a crucial step in bioprocess engineering. Conventionally, estimates of the parameters are…

Machine Learning · Computer Science 2023-12-07 Maxim Borisyak , Stefan Born , Peter Neubauer , Mariano Nicolas Cruz-Bournazou

Delicate cloth simulations have long been desired in computer graphics. Various methods were proposed to improve engaged force interactions, collision handling, and numerical integrations. Deep learning has the potential to achieve fast and…

Graphics · Computer Science 2025-01-20 Zhiwei Zhao

We introduce a framework for reasoning about what meaning is captured by the neurons in a trained neural network. We provide a strategy for discovering meaning by training a second model (referred to as an observer model) to classify the…

Machine Learning · Computer Science 2021-03-16 Eric E. Allen

Supervised machine learning algorithms, such as graph neural networks (GNN), have successfully predicted material properties. However, the superior performance of GNN usually relies on end-to-end learning on large material datasets, which…

Materials Science · Physics 2025-05-22 Jian-Gang Kong , Ke-Lin Zhao , Jian Li , Qing-Xu Li , Yu Liu , Rui Zhang , Jia-Ji Zhu , Kai Chang

Deep learning has emerged as a promising approach for learning the nonlinear mapping between diffusion-weighted MR images and tissue parameters, which enables automatic and deep understanding of the brain microstructures. However, the…

Computer Vision and Pattern Recognition · Computer Science 2025-05-21 Wenxin Fan , Jian Cheng , Qiyuan Tian , Ruoyou Wu , Juan Zou , Zan Chen , Shanshan Wang

Accurately determining the underlying physical parameters of individual elements in integrated photonics is increasingly difficult as device architectures become more complex. Inferring these parameters directly from spectral measurements…

In autonomous embedded systems, it is often vital to reduce the amount of actions taken in the real world and energy required to learn a policy. Training reinforcement learning agents from high dimensional image representations can be very…

Machine Learning · Computer Science 2019-03-26 Bharat Prakash , Mark Horton , Nicholas R. Waytowich , William David Hairston , Tim Oates , Tinoosh Mohsenin
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